Collision-Induced Absorption By Supermolecular Complexes From A New Potential Energy And Induced Dipole Surface, Suited For Calculations Up To Thousands Of Kelvin

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dc.contributor.utaustinauthorAbel, Martinen
dc.contributor.utaustinauthorFrommhold, Lotharen
dc.creatorAbel, M.en
dc.creatorFrommhold, L.en
dc.creatorWang, F.en
dc.creatorGustafsson, M.en
dc.creatorLi, X. P.en
dc.creatorHunt, K. L. C.en
dc.date.accessioned2015-04-16T14:47:51Zen
dc.date.available2015-04-16T14:47:51Zen
dc.date.issued2010-06en
dc.description.abstractAbsorption by pairs of H-2 molecules is an important opacity source in the atmospheres of the outer planets, and thus of special astronomical interest. The emission spectra of cool white dwarf stars differ significantly from the expected blackbody spectra, amongst other reasons due to absorption by H-2 H-2, H-2 He, and H-2-H collisional complexes in the stellar atmospheres. To model the radiative processes in these atmospheres, which have temperatures of several thousand kelvin, one needs accurate knowledge of the induced dipole (ID) and potential energy surfaces (PES) of such collisional complexes. These come from quantum-chemical calculations with the H-2 bonds stretched or compressed far from equilibrium. Laboratory measurements of collision-induced (CI) absorption exist only at much lower temperature. For H-2 pairs at room temperature, the calculated spectra of the rototranslational band, the fundamental band, and the first overtone match the experimental data very well. In addition, with the newly obtained IDS it became possible to reproduce the measurements in the far blue wing of the rototranslational spectrum of H-2 at 77.5 K, as well as at 300 K. Similarly good agreement between theory and measurement is seen in the fundamental band of molecular deuterium at room temperature. Furthermore, we also show the calculated absorption spectra of H-2-He at 600 K and of H-2-H-2 at 2,000 K, for which there are no experimental data for comparison.en
dc.description.departmentPhysicsen
dc.identifier.citationMartin Abel, Lothar Frommhold, Fei Wang, Magnus Gustafsson, Xiaoping Li, Katharine L. C. Hunt. AIP Conference Proceedings 1290, 251 (Jun., 2010); doi: 10.1063/1.3517567en
dc.identifier.doi10.1063/1.3517567en
dc.identifier.issn0094-243Xen
dc.identifier.issn978-0-73540-845-6en
dc.identifier.urihttp://hdl.handle.net/2152/29433en
dc.language.isoEnglishen
dc.relation.ispartofserial20th International Conference on Spectral Line Shapesen_US
dc.rightsAdministrative deposit of works to UT Digital Repository: This works author(s) is or was a University faculty member, student or staff member; this article is already available through open access or the publisher allows a PDF version of the article to be freely posted online. The library makes the deposit as a matter of fair use (for scholarly, educational, and research purposes), and to preserve the work and further secure public access to the works of the University.en
dc.subjectcollision-induced absorptionen
dc.subjectinduced dipole and potential energyen
dc.subjectsurfaces for h-2-h-2 and h-2-heen
dc.subjectcool white dwarf starsen
dc.subjectcool white-dwarfsen
dc.subjectfundamental-banden
dc.subjectmodel atmospheresen
dc.subjecthydrogenen
dc.subjectpairsen
dc.subjectspectraen
dc.subjectprinciplesen
dc.subjecth-2en
dc.subjectphysics, applieden
dc.subjectspectroscopyen
dc.titleCollision-Induced Absorption By Supermolecular Complexes From A New Potential Energy And Induced Dipole Surface, Suited For Calculations Up To Thousands Of Kelvinen
dc.typeArticleen

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